4-(2H-Tetrazol-5-yl)benzonitrile
TL;DR: 4-(2H-Tetrazol-5-yl)benzonitrile (CAS 14389-10-7) is a chemical compound with molecular formula C8H5N5 and molecular weight 171.05449 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2H-tetrazol-5-yl)benzonitrile
Also Known As: 4-(2H-tetrazol-5-yl)benzonitrile, 4-(2H-TETRAZOL-5-YL)-BENZONITRILE, 5-(4-cyanophenyl)tetrazole, 4-(1H-Tetrazole-5-yl)benzonitrile, 5-(4-Cyanophenyl)-1H-tetrazole
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H5N5 |
| Molecular Weight | 171.05449 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.05449 Da |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
| SMILES | C1=CC(=CC=C1C#N)C2=NNN=N2 |
| InChIKey | KFSAVNQQBAZFIP-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2H-Tetrazol-5-yl)benzonitrile
Property Insights of 4-(2H-Tetrazol-5-yl)benzonitrile
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2H-Tetrazol-5-yl)benzonitrile. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2H-Tetrazol-5-yl)benzonitrile. Following Lipinski's Rule of Five, 4-(2H-Tetrazol-5-yl)benzonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(2H-Tetrazol-5-yl)benzonitrile?
The CAS number of 4-(2H-Tetrazol-5-yl)benzonitrile is 14389-10-7.
What is the molecular formula of 4-(2H-Tetrazol-5-yl)benzonitrile?
The molecular formula of 4-(2H-Tetrazol-5-yl)benzonitrile is C8H5N5.
What is the molecular weight of 4-(2H-Tetrazol-5-yl)benzonitrile?
The molecular weight of 4-(2H-Tetrazol-5-yl)benzonitrile is 171.05449 g/mol.
Where can I buy 4-(2H-Tetrazol-5-yl)benzonitrile?
You can request a quote for 4-(2H-Tetrazol-5-yl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2H-Tetrazol-5-yl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(2H-Tetrazol-5-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.